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大连化学物理研究所 [20]
上海药物研究所 [8]
兰州大学 [3]
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期刊论文 [38]
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Cytotoxic Trichothecene Macrolides Produced by the Endophytic Myrothecium roridum
期刊论文
JOURNAL OF NATURAL PRODUCTS, 2019, 卷号: 82, 期号: 6, 页码: 1503-1509
作者:
Shen, Li
;
Ai, Chun-Zhi
;
Song, Yong-Chun
;
Wang, Feng-Wu
;
Jiao, Rui-Hua
收藏
  |  
浏览/下载:65/0
  |  
提交时间:2019/12/02
Comparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 67, 期号: 1, 页码: 38-47
作者:
Zhang, Shuqun
;
Lin, Zichun
;
Pu, Yinglan
;
Zhang, Yunqin
;
Zhang, Li
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2017/05/19
BACE1
AD
HQSAR
CoMFA
CoMSIA
Comparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 67, 页码: 38-47
作者:
Zhang, Shuqun
;
Lin, Zichun
;
Pu, Yinglan
;
Zhang, Yunqin
;
Zhang, Li
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2019/01/08
BACE1
AD
HQSAR
CoMFA
CoMSIA
A Combined Quantitative Structure-Activity Relationship Research of Quinolinone Derivatives as Androgen Receptor Antagonists
期刊论文
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2015, 卷号: 18, 期号: 9, 页码: 834-845
作者:
Wang, YW
;
Bai, F
;
Cao, H
;
Li, JZ
;
Liu, HX
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/01/11
Androgen receptor (AR)
comparative molecular field analysis (CoMFA)
prostate cancer (PCa)
comparative molecular similarity indices analysis (CoMSIA)
multiple linear regression (MLR)
Profiling the interaction mechanism of indole-based derivatives targeting the HIV-1 gp120 receptor
期刊论文
rsc advances, 2015, 卷号: 5, 期号: 95, 页码: 78278-78298
作者:
Wang, Jinghui
;
Li, Yan
;
Yang, Yinfeng
;
Zhang, Jingxiao
;
Du, Jian
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2015/11/17
In vitro Antiviral Effects and 3D QSAR Study of Resveratrol Derivatives as Potent Inhibitors of Influenza H1N1 Neuraminidase
期刊论文
2015, 卷号: 85, 期号: 4, 页码: 427-438
作者:
Li, Chao
;
Fang, Jian-Song
;
Lian, Wen-Wen
;
Pang, Xiao-Cong
;
Liu, Ai-Lin
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2020/01/13
CoMFA
CoMSIA
CPE
docking
NA
RV (3
5
4 '-trihydroxy-trans-stilbene) derivatives
Exploring details about structure requirements based on novel CGRP receptor antagonists urethanamide, aspartate, succinate and pyridine derivatives by in silico methods
期刊论文
journal of molecular structure, 2014, 卷号: 1074, 页码: 294-301
作者:
Li, Yan
;
He, Haoran
;
Wang, Jinghui
;
Han, Chunxiao
;
Feng, Jiaqi
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2015/11/17
Migraine
CGRP receptor antagonist
3D-QSAR
Molecular docking
Insight into the Structural Features of Pyrazolopyrimidine- and Pyrazolopyridine-based B-Raf(V600E) Kinase Inhibitors by Computational Explorations
期刊论文
chemical biology & drug design, 2014, 卷号: 83, 期号: 6, 页码: 643-655
作者:
Li, Yan
;
Han, Chunxiao
;
Wang, Jinghui
;
Yang, Yinfeng
;
Zhang, Jingxiao
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2015/11/17
B-Raf(V600E) kinase
Pyrazolopyrimidine- and pyrazolopyridine-based inhibitors
3D-QSAR
docking
md
3D QSAR Studies, Pharmacophore Modeling and Virtual Screening on a Series of Steroidal Aromatase Inhibitors
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2014, 卷号: 15, 期号: 11
作者:
Xie, Huiding
;
Qiu, Kaixiong
;
Xie, Xiaoguang
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/12/04
steroidal aromatase inhibitors
3D QSAR
CoMFA
CoMSIA
pharmacophore
virtual screening
Global Performance and Trend of QSAR/QSPR Research: A Bibliometric Analysis
期刊论文
2014
Li, Li
;
Hu, Jianxin
;
Ho, Yuh-Shan
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/11/10
Quantitative structure-activity relationship (QSAR)
Quantitative structure-property relationship (QSPR)
Research trend
SCI-EXPANDED
Scientometrics
SCIENCE-CITATION-INDEX
MOLECULAR SIMILARITY INDEXES
HIV-1 INTEGRASE INHIBITORS
COMSIA 3D QSAR
BIOLOGICAL-ACTIVITY
ELECTROTOPOLOGICAL-STATE
THEORETICAL DESCRIPTORS
PARTITION-COEFFICIENTS
APPLICABILITY DOMAIN
RISK-ASSESSMENT
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